Molecule

ID:50907

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂
Molecular Mass
222.28352
Exact Mass
222.13682783
Charge
0
InChI
InChI=1S/C12H18N2O2/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10,13H2
InChIKey
ZHFFNLQQANCJEQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCCN1CCOCC1
Isomeric Smiles
N1(CCOc2ccc(N)cc2)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5847712
LogD (pH = 7.4)
0.6921061
Log P
0.7867927
Molar Refractivity
64.3152
Polarizability
24.682066
Polar Surface Area
47.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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